2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-cyclopropylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate

C125H128N30O7 — CID 162067145

IUPAC2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-cyclopropylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate
SMILESCC(C)(C)n1c(-c2ccccc2C(=O)NC2CC2)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2ccccc2C(=O)NCC2CCCO2)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2ccccc2C(=O)Nc2ccncc2)nc2cc(-c3cnc(N)nc3)ccc21.CNC(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.COC(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C
InChIInChI=1S/C27H25N7O.C27H30N6O2.C25H26N6O.C23H24N6O.C23H23N5O2/c1-27(2,3)34-23-9-8-17(18-15-30-26(28)31-16-18)14-22(23)33-24(34)20-6-4-5-7-21(20)25(35)32-19-10-12-29-13-11-19;1-27(2,3)33-23-11-10-17(18-14-30-26(28)31-15-18)13-22(23)32-24(33)20-8-4-5-9-21(20)25(34)29-16-19-7-6-12-35-19;1-25(2,3)31-21-11-8-15(16-13-27-24(26)28-14-16)12-20(21)30-22(31)18-6-4-5-7-19(18)23(32)29-17-9-10-17;1-23(2,3)29-19-10-9-14(15-12-26-22(24)27-13-15)11-18(19)28-20(29)16-7-5-6-8-17(16)21(30)25-4;1-23(2,3)28-19-10-9-14(15-12-25-22(24)26-13-15)11-18(19)27-20(28)16-7-5-6-8-17(16)21(29)30-4/h4-16H,1-3H3,(H2,28,30,31)(H,29,32,35);4-5,8-11,13-15,19H,6-7,12,16H2,1-3H3,(H,29,34)(H2,28,30,31);4-8,11-14,17H,9-10H2,1-3H3,(H,29,32)(H2,26,27,28);5-13H,1-4H3,(H,25,30)(H2,24,26,27);5-13H,1-4H3,(H2,24,25,26)
InChIKeyZAPJSVOTSMADKT-UHFFFAOYSA-N
MW2162.60 g/mol
LogP22.08
Rot. Bonds19

About 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-cyclopropylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate

2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-cyclopropylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate (PubChem CID 162067145) has the molecular formula C125H128N30O7 and a molecular weight of 2162.60 g/mol. Its IUPAC name is 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-cyclopropylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate.

Molecular Properties

Compound Name2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-cyclopropylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate
PubChem CID162067145
Molecular FormulaC125H128N30O7
Molecular Weight2162.60 g/mol
Exact Mass2161.06
IUPAC Name2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-cyclopropylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate
SMILESCC(C)(C)n1c(-c2ccccc2C(=O)NC2CC2)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2ccccc2C(=O)NCC2CCCO2)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2ccccc2C(=O)Nc2ccncc2)nc2cc(-c3cnc(N)nc3)ccc21.CNC(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.COC(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C
InChIInChI=1S/C27H25N7O.C27H30N6O2.C25H26N6O.C23H24N6O.C23H23N5O2/c1-27(2,3)34-23-9-8-17(18-15-30-26(28)31-16-18)14-22(23)33-24(34)20-6-4-5-7-21(20)25(35)32-19-10-12-29-13-11-19;1-27(2,3)33-23-11-10-17(18-14-30-26(28)31-15-18)13-22(23)32-24(33)20-8-4-5-9-21(20)25(34)29-16-19-7-6-12-35-19;1-25(2,3)31-21-11-8-15(16-13-27-24(26)28-14-16)12-20(21)30-22(31)18-6-4-5-7-19(18)23(32)29-17-9-10-17;1-23(2,3)29-19-10-9-14(15-12-26-22(24)27-13-15)11-18(19)28-20(29)16-7-5-6-8-17(16)21(30)25-4;1-23(2,3)28-19-10-9-14(15-12-25-22(24)26-13-15)11-18(19)27-20(28)16-7-5-6-8-17(16)21(29)30-4/h4-16H,1-3H3,(H2,28,30,31)(H,29,32,35);4-5,8-11,13-15,19H,6-7,12,16H2,1-3H3,(H,29,34)(H2,28,30,31);4-8,11-14,17H,9-10H2,1-3H3,(H,29,32)(H2,26,27,28);5-13H,1-4H3,(H,25,30)(H2,24,26,27);5-13H,1-4H3,(H2,24,25,26)
InChIKeyZAPJSVOTSMADKT-UHFFFAOYSA-N
XLogP22.08
TPSA512.92 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds19
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002162.60
LogP ≤ 522.08
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Analyze 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-cyclopropylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate with MolForge

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Related Compounds

2-[2-(1-hydroxycyclopropyl)phenyl]-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;methyl 2-[9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-8-oxo-7H-purin-2-yl]benzoate;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-7H-purin-8-one;oxolane
CID 158619529
6-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(oxetan-3-yl)amino]-1-(4-tert-butylphenyl)hexan-2-one;1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-hydroxyethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;butyl 4-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propylcarbamoylamino]benzoate;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-[(1S,2R)-2-phenylcyclopropyl]hexan-2-one;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)hexan-2-one
CID 159927638
6-(4-cyclopenta-1,4-dien-1-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1-methylpyrrol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1H-pyrrol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-(oxan-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[4-(1-methylimidazol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
CID 160464154
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;methane;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-2-(1-methylimidazol-2-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-2-(1-methylimidazol-2-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate
CID 161083235
6-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-cyclobutylamino]-1-(4-tert-butylphenyl)hexan-2-one;6-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(oxetan-3-yl)amino]-1-(4-tert-butylphenyl)hexan-2-one;1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-hydroxyethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;butyl 4-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propylcarbamoylamino]benzoate;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-[(1S,2R)-2-phenylcyclopropyl]hexan-2-one
CID 161338656
7-[[4-(3,3-dimethyloxetan-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;6-methylidene-7-[(1R)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;6-methylidene-7-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;2-(2-propan-2-ylphenyl)-7-[[3-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167689244
4-[2-[(dimethylamino)methyl]-6-[[7-[8-[4-[(1R)-1-[2-[(dimethylamino)methyl]-6-[[7-[8-[4-[2-[2-[(dimethylamino)methyl]-6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-3-pyridinyl]propan-2-yl]-3-oxomorpholin-2-yl]-7-fluoroimidazo[1,2-a]pyridin-3-yl]-3-oxo-1,2-dihydroisoindol-4-yl]amino]-3-pyridinyl]ethoxy]oxan-2-yl]-7-fluoroimidazo[1,2-a]pyridin-3-yl]-3-oxo-1,2-dihydroisoindol-4-yl]amino]-3-pyridinyl]-2,2-dimethylmorpholin-3-one
CID 169613995
N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2-[4-[(R)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-propan-2-yloxymethyl]piperidin-1-yl]acetamide
CID 169817202
[(R)-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethylamino]-2-oxoethyl]piperidin-4-yl]-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] 5-methyl-4-oxohexanoate
CID 169818424
[(R)-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethylamino]-2-oxoethyl]piperidin-4-yl]-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] 4-oxopentanoate
CID 169821170
methyl 2-(4'-ethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,1'-cyclohexane]-7-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 139176016
5-[[6-[1'-acetyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]-2-oxospiro[indole-3,4'-piperidine]-6-yl]-3-[1-[1-[3-[6-[4-[3-[[1-(difluoromethyl)cyclopropyl]carbamoyl]-4-methylanilino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxospiro[indole-3,4'-oxane]-1-yl]cyclobutyl]piperidin-2-yl]propan-2-yl]imidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-2-methyl-N-propan-2-ylbenzamide
CID 162615885

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-cyclopropylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate?
The IUPAC name of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-cyclopropylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate (CID 162067145) is 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-cyclopropylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate.
What is the SMILES notation for 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-cyclopropylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate?
The canonical SMILES for 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-cyclopropylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate is CC(C)(C)n1c(-c2ccccc2C(=O)NC2CC2)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2ccccc2C(=O)NCC2CCCO2)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2ccccc2C(=O)Nc2ccncc2)nc2cc(-c3cnc(N)nc3)ccc21.CNC(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.COC(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.
What is the InChIKey of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-cyclopropylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate?
The InChIKey is ZAPJSVOTSMADKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O.C27H30N6O2.C25H26N6O.C23H24N6O.C23H23N5O2/c1-27(2,3)34-23-9-8-17(18-15-30-26(28)31-16-18)14-22(23)33-24(34)20-6-4-5-7-21(20)25(35)32-19-10-12-29-13-11-19;1-27(2,3)33-23-11-10-17(18-14-30-26(28)31-15-18)13-22(23)32-24(33)20-8-4-5-9-21(20)25(34)29-16-19-7-6-12-35-19;1-25(2,3)31-21-11-8-15(16-13-27-24(26)28-14-16)12-20(21)30-22(31)18-6-4-5-7-19(18)23(32)29-17-9-10-17;1-23(2,3)29-19-10-9-14(15-12-26-22(24)27-13-15)11-18(19)28-20(29)16-7-5-6-8-17(16)21(30)25-4;1-23(2,3)28-19-10-9-14(15-12-25-22(24)26-13-15)11-18(19)27-20(28)16-7-5-6-8-17(16)21(29)30-4/h4-16H,1-3H3,(H2,28,30,31)(H,29,32,35);4-5,8-11,13-15,19H,6-7,12,16H2,1-3H3,(H,29,34)(H2,28,30,31);4-8,11-14,17H,9-10H2,1-3H3,(H,29,32)(H2,26,27,28);5-13H,1-4H3,(H,25,30)(H2,24,26,27);5-13H,1-4H3,(H2,24,25,26).
What are the key properties of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-cyclopropylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate?
2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-cyclopropylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate has a molecular weight of 2162.60 g/mol, XLogP of 22.08, 19 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-cyclopropylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate is sourced from PubChem (CID 162067145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).